1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C16H26N4O — CID 97396293

IUPAC1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1ncc(CN2CCC3(CC2)COCCN3CC2CC2)[nH]1
InChIInChI=1S/C16H26N4O/c1-2-14(1)10-20-7-8-21-12-16(20)3-5-19(6-4-16)11-15-9-17-13-18-15/h9,13-14H,1-8,10-12H2,(H,17,18)
InChIKeyMQGQXDXMCZVPJE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.49
Rot. Bonds4

About 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396293) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396293
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESc1ncc(CN2CCC3(CC2)COCCN3CC2CC2)[nH]1
InChIInChI=1S/C16H26N4O/c1-2-14(1)10-20-7-8-21-12-16(20)3-5-19(6-4-16)11-15-9-17-13-18-15/h9,13-14H,1-8,10-12H2,(H,17,18)
InChIKeyMQGQXDXMCZVPJE-UHFFFAOYSA-N
XLogP1.49
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746221
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
4-({5-[1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70722962
N-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-4-morpholin-4-ylbutan-1-amine
CID 77083860
9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396280
2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide
CID 97396323
4-(1H-imidazol-5-ylmethyl)morpholine
CID 53768610
N-methyl-1-[2-(oxan-4-yl)-1H-imidazol-5-yl]methanamine
CID 65334254

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396293) is 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is c1ncc(CN2CCC3(CC2)COCCN3CC2CC2)[nH]1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is MQGQXDXMCZVPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-14(1)10-20-7-8-21-12-16(20)3-5-19(6-4-16)11-15-9-17-13-18-15/h9,13-14H,1-8,10-12H2,(H,17,18).
What are the key properties of 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 290.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).